Geometry & MOs

Info

ID:	85756
PubChem CID:	49878794
Reduced:	F2S2O3N5C17H17 (1)
Stoich.:	A2B2C3D5E17F17 (1)
Weight, g/mol:	449.08512
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	1.53
IP(EA), eV:	-9.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C(F)F)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43

DOS

IR

Vibrations